skip to main content
Idioma:

Phytochemicals from Nigerian medicinal plants modulate therapeutically-relevant diabetes targets: insight from computational direction

Olawale, Femi ; Olofinsan, Kolawole ; Iwaloye, Opeyemi ; Ologuntere, Taiwo Emmanuel

Advances in traditional medicine (Online), 2022-12, Vol.22 (4), p.723-737 [Periódico revisado por pares]

Singapore: 융합한의과학연구소

Texto completo disponível

Citações Citado por
  • Título:
    Phytochemicals from Nigerian medicinal plants modulate therapeutically-relevant diabetes targets: insight from computational direction
  • Autor: Olawale, Femi ; Olofinsan, Kolawole ; Iwaloye, Opeyemi ; Ologuntere, Taiwo Emmanuel
  • Assuntos: Biomedical and Life Sciences ; Biomedicine ; Original Article ; Pharmacy
  • É parte de: Advances in traditional medicine (Online), 2022-12, Vol.22 (4), p.723-737
  • Descrição: Traditional medicines have played critical roles in the treatment of diabetes in Nigeria. Since plants extracts contain many phytochemical compounds, it is quite challenging to experimentally determine the exact pharmacological agent responsible for their antidiabetic activity from the abundant constituents. In this study, the antidiabetic potentials of compounds identified from Nigerian plants was explored using computational technique. Fifty chemical compounds commonly found in Nigerian medicinal plants were docked with diabetes prime targets adiponectin, α-amylase, α-glucosidase, dipeptidyl peptidase-iv, glycogen synthase kinase-3β, peroxisome proliferator-activated receptor-γ and glucose transporter-1 using autodock vina software. From the analysis, rutin, 1, 5-Dicaffeoylquinic acid, vitexin, chlorogenic acid, taxifolin, luteolin and alstonine had better docking score than the standard drug for each target. The seven top-scoring compounds were stable with the targets after calculating their binding free energy. DFT calculations (HOMO/LUMO and global descriptive parameters) was performed to determine the compounds reactivity, and it shows that alstonine, Dicaffeoylquinic acid and chlorogenic acid are the most chemical reactive ligands. The AMET filtering of the compounds through pain alert, RO5, carcinogenicity and oral availability showed that alstonine and vitexin exhibited better profile among the rest. Finally, the intrinsic biological activity of the ligands by webserver identified the compounds as potential antidiabetic compounds, with more potency to act as aldose reductase inhibitor. Although this study identified alstonine and vitexin as the most suitable ligands against the understudied diabetes implicated proteins, all the 7-top scoring compounds possess promising features which may be useful to develop drug targeting multiple therapeutically-relevant proteins of diabetes.
  • Editor: Singapore: 융합한의과학연구소
  • Idioma: Coreano;Inglês
Voltar para lista de resultados

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

Buscando em bases de dados remotas. Favor aguardar.